RefChem:1071995
TL;DR: RefChem:1071995 (CAS 78311-93-0) is a chemical compound with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate
Also Known As: 4H-Imidazol-4-one, 3,5-dihydro-5-((4-(acetyloxy)phenyl)methylene)-3-(2-methoxy-4-nitrophenyl)-2-methyl-, [4-[(Z)-[1-(2-methoxy-4-nitro-phenyl)-2-methyl-5-oxo-imidazol-4-ylidene]methyl]phenyl] Acetate, [4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate, RefChem:1071995
| Molecular Formula | C20H17N3O6 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.3348 |
| Topological Polar Surface Area | 111.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.11172 |
| Heavy Atoms | 29 |
| Complexity | 1056.3862 |
Chemical Identifiers
| CAS Number | 78311-93-0 |
|---|---|
| SMILES | CC1=N/C(=C\C2=CC=C(C=C2)OC(=O)C)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
RefChem:1071995 (CAS 78311-93-0), with molecular formula C20H17N3O6 and molecular weight 395.11 g/mol. IUPAC: [4-[(Z)-[1-(2-methoxy-4-nitrophenyl)-2-methyl-5-oxoimidazol-4-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of RefChem:1071995
Property Insights of RefChem:1071995
The XLogP value of 3.3348 indicates that RefChem:1071995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071995. Following Lipinski's Rule of Five, RefChem:1071995 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071995?
The CAS number of RefChem:1071995 is 78311-93-0.
What is the molecular formula of RefChem:1071995?
The molecular formula of RefChem:1071995 is C20H17N3O6.
What is the molecular weight of RefChem:1071995?
The molecular weight of RefChem:1071995 is 395.11 g/mol.
Where can I buy RefChem:1071995?
You can request a quote for RefChem:1071995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071995?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.